diethyl (benzo[d]thiazol-2-ylamino)(4-(pyridine-4-yl)phenyl)methylphosphonate | 1356925-31-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: diethyl (benzo[d]thiazol-2-ylamino)(4-(pyridine-4-yl)phenyl)methylphosphonate
• 英文别名: N-[diethoxyphosphoryl-(4-pyridin-4-ylphenyl)methyl]-1,3-benzothiazol-2-amine
• CAS: 1356925-31-9
• 化学式: C₂₃H₂₄N₃O₃PS
• 分子量: 453.502
• InChiKey: YNCSTQKJOPUUPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-氨基苯并噻唑 、 4-(4-吡啶基)苯甲醛 、 亚磷酸三乙酯 在 poly(ethylene glycol)sulfonic acid 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以82%的产率得到diethyl (benzo[d]thiazol-2-ylamino)(4-(pyridine-4-yl)phenyl)methylphosphonate
  参考文献：
  名称：

  PEG-SO3H catalyzed synthesis and cytotoxicity of α-aminophosphonates

  摘要：

  One pot three-component PEG-SO3H catalyzed reaction of 4-(Pyridin-4-yl)benzaldehyde and triethyl phosphite with various primary amines afforded alpha-aminophosphonates with high yields by the Kabachnik-Field's reaction. These new structurally diversified set of a-aminophosphonates (4a-j) were evaluated for their anti-tumor activity on human chronic myeloid leukemia cells (K 562), human colon carcinoma cells (Colo 205) along with non-cancerous human embryonic kidney cells (HEK 293). They showed moderate activity on both cancerous cells and non-cancerous cells. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.11.026

文献信息

• PEG-SO3H catalyzed synthesis and cytotoxicity of α-aminophosphonates
  作者：C. Bhupendra Reddy、K. Suresh Kumar、M. Anil Kumar、M. Veera Narayana Reddy、B. Satheesh Krishna、M. Naveen、M.K. Arunasree、C. Suresh Reddy、C. Naga Raju、C. Devendranath Reddy

  DOI：10.1016/j.ejmech.2011.11.026

  日期：2012.1

  One pot three-component PEG-SO3H catalyzed reaction of 4-(Pyridin-4-yl)benzaldehyde and triethyl phosphite with various primary amines afforded alpha-aminophosphonates with high yields by the Kabachnik-Field's reaction. These new structurally diversified set of a-aminophosphonates (4a-j) were evaluated for their anti-tumor activity on human chronic myeloid leukemia cells (K 562), human colon carcinoma cells (Colo 205) along with non-cancerous human embryonic kidney cells (HEK 293). They showed moderate activity on both cancerous cells and non-cancerous cells. (C) 2011 Elsevier Masson SAS. All rights reserved.